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SMILES: Oc1ccc2c(n[nH]c2c1)C1CCCC1

InChI Key: InChIKey=BTPBKPOLTSJUBU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50386000   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Heat shock protein HSP 90-beta


(Homo sapiens (Human))		BDBM50386000
PNG
(CHEMBL2042884)
Show SMILES Oc1ccc2c(n[nH]c2c1)C1CCCC1
Show InChI InChI=1S/C12H14N2O/c15-9-5-6-10-11(7-9)13-14-12(10)8-3-1-2-4-8/h5-8,15H,1-4H2,(H,13,14)
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Article
PubMed
n/an/a 8.70E+4n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting

Bioorg Med Chem Lett 22: 4396-403 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC
More data for this
Ligand-Target Pair